N-[[(1S,5S,6R,7R)-3-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanesulfonamide

C19H25N3O5S — CID 169414204

IUPACN-[[(1S,5S,6R,7R)-3-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanesulfonamide
SMILESCc1cc(C(=O)N2C[C@@H]3[C@H](CNS(=O)(=O)C4CC4)[C@H]4CC[C@]3(C2)O4)cc(=O)[nH]1
InChIInChI=1S/C19H25N3O5S/c1-11-6-12(7-17(23)21-11)18(24)22-9-15-14(8-20-28(25,26)13-2-3-13)16-4-5-19(15,10-22)27-16/h6-7,13-16,20H,2-5,8-10H2,1H3,(H,21,23)/t14-,15+,16+,19+/m0/s1
InChIKeyDSEIPCSBJFLLCN-WFXMFSGNSA-N
MW407.49 g/mol
LogP0.38
Rot. Bonds5

About N-[[(1S,5S,6R,7R)-3-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanesulfonamide

N-[[(1S,5S,6R,7R)-3-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanesulfonamide (PubChem CID 169414204) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanesulfonamide
PubChem CID169414204
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC NameN-[[(1S,5S,6R,7R)-3-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanesulfonamide
SMILESCc1cc(C(=O)N2C[C@@H]3[C@H](CNS(=O)(=O)C4CC4)[C@H]4CC[C@]3(C2)O4)cc(=O)[nH]1
InChIInChI=1S/C19H25N3O5S/c1-11-6-12(7-17(23)21-11)18(24)22-9-15-14(8-20-28(25,26)13-2-3-13)16-4-5-19(15,10-22)27-16/h6-7,13-16,20H,2-5,8-10H2,1H3,(H,21,23)/t14-,15+,16+,19+/m0/s1
InChIKeyDSEIPCSBJFLLCN-WFXMFSGNSA-N
XLogP0.38
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanesulfonamide (CID 169414204) is N-[[(1S,5S,6R,7R)-3-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanesulfonamide is Cc1cc(C(=O)N2C[C@@H]3[C@H](CNS(=O)(=O)C4CC4)[C@H]4CC[C@]3(C2)O4)cc(=O)[nH]1.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanesulfonamide?
The InChIKey is DSEIPCSBJFLLCN-WFXMFSGNSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-11-6-12(7-17(23)21-11)18(24)22-9-15-14(8-20-28(25,26)13-2-3-13)16-4-5-19(15,10-22)27-16/h6-7,13-16,20H,2-5,8-10H2,1H3,(H,21,23)/t14-,15+,16+,19+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanesulfonamide?
N-[[(1S,5S,6R,7R)-3-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanesulfonamide has a molecular weight of 407.49 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 169414204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).